[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C22H34N2O3 — CID 155508194

IUPAC[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCCCO[C@@H]1C[C@@H](C(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC[C@H]1N
InChIInChI=1S/C22H34N2O3/c1-3-14-26-21-15-17(6-9-20(21)23)22(25)24-12-10-19(11-13-24)27-18-7-4-16(2)5-8-18/h4-5,7-8,17,19-21H,3,6,9-15,23H2,1-2H3/t17-,20+,21+/m0/s1
InChIKeyWFLREENXVKMTBM-IOMROCGXSA-N
MW374.53 g/mol
LogP3.29
Rot. Bonds6

About [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone

[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 155508194) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
PubChem CID155508194
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCCCO[C@@H]1C[C@@H](C(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC[C@H]1N
InChIInChI=1S/C22H34N2O3/c1-3-14-26-21-15-17(6-9-20(21)23)22(25)24-12-10-19(11-13-24)27-18-7-4-16(2)5-8-18/h4-5,7-8,17,19-21H,3,6,9-15,23H2,1-2H3/t17-,20+,21+/m0/s1
InChIKeyWFLREENXVKMTBM-IOMROCGXSA-N
XLogP3.29
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 155915876
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163315370
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 155508194) is [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone is CCCO[C@@H]1C[C@@H](C(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC[C@H]1N.
What is the InChIKey of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is WFLREENXVKMTBM-IOMROCGXSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-14-26-21-15-17(6-9-20(21)23)22(25)24-12-10-19(11-13-24)27-18-7-4-16(2)5-8-18/h4-5,7-8,17,19-21H,3,6,9-15,23H2,1-2H3/t17-,20+,21+/m0/s1.
What are the key properties of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 374.53 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 155508194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).